5,7-Dimethylisatin, 3-thiosemicarbazone
TL;DR: 5,7-Dimethylisatin, 3-thiosemicarbazone (CAS 17765-88-7) is a chemical compound with molecular formula C11H12N4OS and molecular weight 248.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)iminothiourea
Also Known As: 5,7-dimethylisatin, 3-thiosemicarbazone, (2-hydroxy-5,7-dimethyl-1H-indol-3-yl)iminothiourea, BIM-0022244.P001, [(5,7-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene)amino]thiourea, J2.025.459I
| Molecular Formula | C11H12N4OS |
|---|---|
| Molecular Weight | 248.07 g/mol |
| LogP | 2.81764 |
| Topological Polar Surface Area | 86.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.07318 |
| Heavy Atoms | 17 |
| Complexity | 629.9234 |
Chemical Identifiers
| CAS Number | 17765-88-7 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)C(=C(N2)O)N=NC(=S)N)C |
Product Overview
5,7-Dimethylisatin, 3-thiosemicarbazone (CAS 17765-88-7), with molecular formula C11H12N4OS and molecular weight 248.07 g/mol. IUPAC: (2-hydroxy-5,7-dimethyl-1H-indol-3-yl)iminothiourea.
Chemical Property Profile of 5,7-Dimethylisatin, 3-thiosemicarbazone
Property Insights of 5,7-Dimethylisatin, 3-thiosemicarbazone
The XLogP value of 2.81764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,7-Dimethylisatin, 3-thiosemicarbazone. The TPSA of 86.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,7-Dimethylisatin, 3-thiosemicarbazone. Following Lipinski's Rule of Five, 5,7-Dimethylisatin, 3-thiosemicarbazone has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5,7-Dimethylisatin, 3-thiosemicarbazone?
The CAS number of 5,7-Dimethylisatin, 3-thiosemicarbazone is 17765-88-7.
What is the molecular formula of 5,7-Dimethylisatin, 3-thiosemicarbazone?
The molecular formula of 5,7-Dimethylisatin, 3-thiosemicarbazone is C11H12N4OS.
What is the molecular weight of 5,7-Dimethylisatin, 3-thiosemicarbazone?
The molecular weight of 5,7-Dimethylisatin, 3-thiosemicarbazone is 248.07 g/mol.
Where can I buy 5,7-Dimethylisatin, 3-thiosemicarbazone?
You can request a quote for 5,7-Dimethylisatin, 3-thiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7-Dimethylisatin, 3-thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 5,7-Dimethylisatin, 3-thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.